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AURORAFEINCHEMIE-ZINC00539070

 MMsINC code: MMs00447450
Type: Ionized
Formula: C13H23N2O3-
SMILES:   O=C([O-])C(NC(=O)NC1CCCCC1C)C(C)C
InChI:   InChI=1/C13H24N2O3/c1-8(2)11(12(16)17)15-13(18)14-10-7-5-4-6-9(10)3/h8-11H,4-7H2,1-3H3,(H,16,17)(H2,14,15,18)/p-1/t9-,10+,11-/m0/s1

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Potential Energy
Epot(MMFF94)=3.78455 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.338 g/mol  logS: -2.26428  SlogP: 0.6388  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0979904  Sterimol/B1: 2.21259  Sterimol/B2: 3.0861  Sterimol/B3: 4.21373
  Sterimol/B4: 6.78942  Sterimol/L: 13.2927 
 
 Surface and Volume Properties
  Accessible surface: 495.906  Positive charged surface: 338.079  Negative charged surface: 157.827  Volume: 261.625
  Hydrophobic surface: 330.259  Hydrophilic surface: 165.647
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  Acid groups: 2  Basic groups: 0
  Chiral centers: 3
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Parent related molecule:


MMs00447449
AURORAFEINCHEMIE-ZINC00539070